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3-(4-isopropoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoic acid
SpectraBase Compound ID GL6aBX3nXwQ
InChI InChI=1S/C22H27NO7/c1-13(2)30-16-8-6-14(7-9-16)17(12-20(24)25)23-22(26)15-10-18(27-3)21(29-5)19(11-15)28-4/h6-11,13,17H,12H2,1-5H3,(H,23,26)(H,24,25)
InChIKey JUSKVVUHAGXIJD-UHFFFAOYSA-N
Mol Weight 417.46 g/mol
Molecular Formula C22H27NO7
Exact Mass 417.178752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kcw4KtJxziQ
Name 3-(4-isopropoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoic acid
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Formula C22H27NO7
InChI InChI=1S/C22H27NO7/c1-13(2)30-16-8-6-14(7-9-16)17(12-20(24)25)23-22(26)15-10-18(27-3)21(29-5)19(11-15)28-4/h6-11,13,17H,12H2,1-5H3,(H,23,26)(H,24,25)
InChIKey JUSKVVUHAGXIJD-UHFFFAOYSA-N
Molecular Weight 417.458 g/mol
SMILES OC(CC(c1ccc(cc1)OC(C)C)NC(=O)c1cc(c(c(c1)OC)OC)OC)=O
SPLASH splash10-006w-5910000000-eb3e4ec90d591c2d2a22
Synonyms 3-(4-propan-2-yloxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoic acid 3-(4-propan-2-yloxyphenyl)-3-[(3,4,5-trimethoxyphenyl)carbonylamino]propanoic acid 3-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-3-(4-propan-2-yloxyphenyl)propanoic acid
Wiley ID 1444215